UCSF

ZINC29213654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 41 No

CAS Number: 129453-61-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.96 13.64 -17.61 2 3 0 58 606.782 15

Vendor Notes

Note Type Comments Provided By
therap antiestrogen MicroSource Spectrum

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.